SCHEMBL1554924

SCHEMBL1554924

Cc1ccc(OB(OCCN(C)C)Oc2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR2A P28223 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1555855 0.82 DRD2 (0.40) KDM4EALDH1A1TDP1MAPTDRD2
SCHEMBL12139524 0.80 MAPT (0.56) KDM4EALDH1A1TDP1MAPTDRD2
SCHEMBL12270761 0.76 LYPLA1 (0.48) KDM4EALDH1A1TDP1MAPTDRD2
SCHEMBL1555063 0.75 SMN1; SMN2 (0.36) DRD2DRD4DRD3HTR2ASLC6A4
SCHEMBL13744509 0.75 DRD2 (0.55) KDM4EALDH1A1TDP1MAPTDRD2
SCHEMBL2412697 0.74 DRD2 (0.34) KDM4EALDH1A1TDP1MAPTDRD2
SCHEMBL1555889 0.74 DRD2 (0.48) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL1555057 0.74 KDM4E (0.44) KDM4EALDH1A1TDP1DRD2DRD4
SCHEMBL1555061 0.73 CYP3A4 (0.40) DRD2DRD4DRD3HTR2ASLC6A4
SCHEMBL1555898 0.73 NPC1 (0.41) KDM4EALDH1A1DRD3HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 — — US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 — — EP claimed
US-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2012-12-13 — — US disclosed
WO-2011050095-A2 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2011-04-28 — — WO disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 — — US disclosed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 — — US disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) CHAT, ACHE, BCHE KDM4E 3753/4885ALDH1A1 350/4885TDP1 262/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 KDM4E 4858/4885ALDH1A1 4003/4885TDP1 2498/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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